SCHEMBL300489

SCHEMBL300489

O=C(NCc1ccc(C(F)(F)F)cc1)Oc1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.41
CNR1 P21554 6/20 0.39
CNR2 P34972 8/20 0.39
MARS1 P56192 1/20 0.38
PTGER4 P35408 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL176655 0.88 CNR1 (0.49) LPAR5CNR1CNR2
SCHEMBL300710 0.83 CNR2 (0.46) CNR1CNR2
SCHEMBL300472 0.77 PDE9A (0.38)
SCHEMBL300468 0.77 FAAH (0.44) CNR1CNR2
SCHEMBL300711 0.76 CNR2 (0.44) CNR1CNR2
SCHEMBL300388 0.76 CNR2 (0.46) CNR1CNR2
SCHEMBL300475 0.76 CNR2 (0.42) CNR1CNR2
SCHEMBL14089543 0.75 CNR2 (0.49) CNR1CNR2
SCHEMBL300372 0.75 CNR2 (0.42) CNR1CNR2
SCHEMBL300689 0.74 CNR1 (0.40) CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed